1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione

C12H15N3O2 — CID 43636029

IUPAC1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-8(9-3-5-13-6-4-9)14-10-7-11(16)15(2)12(10)17/h3-6,8,10,14H,7H2,1-2H3
InChIKeyXLUNOKRGDZJBJR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione

1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 43636029) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
PubChem CID43636029
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-8(9-3-5-13-6-4-9)14-10-7-11(16)15(2)12(10)17/h3-6,8,10,14H,7H2,1-2H3
InChIKeyXLUNOKRGDZJBJR-UHFFFAOYSA-N
XLogP0.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358037
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358017
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358023
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54955058
1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
CID 60934095
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 43637589

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione (CID 43636029) is 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione is CC(NC1CC(=O)N(C)C1=O)c1ccncc1.
What is the InChIKey of 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is XLUNOKRGDZJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(9-3-5-13-6-4-9)14-10-7-11(16)15(2)12(10)17/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).